Splitting Pseudo-3D experiments into series of 2Ds in Topspin 3+

Interleaved experiments are easy to run as pseudo 3D experiments. A detailed method to design NMR experiments in Topspin 3+ is described previously.

While running the experiments or after the run the user may have to split the data into their respective 2Ds to evaluate the results. This can be done easily by using “xfb” command along with right dimensions (13 or 23) as input in Topspin or NMRPipe processing scripts to process 3D datasets. Alternatively one might split these pseudo-3D data into individual 2Ds using Topspin 3+ macros. If the user has designed pseudo 3Ds with F2 dimension to be used to loop through the loop-counter values one could use these following lines as Topspin macro. Remember to place the macro in $PATH_TOPSPIN/exp/stan/nmr/au/src/user (The following script is called “splitrelax13”)

int td, texpno=1000;

GETCURDATA
GETINT("Enter the first target expno: ",texpno)
FETCHPAR1S("TD",&td)
i1=0;
TIMES(td)
 RSER2D(13, i1+1,i1+texpno)
 i1 ++;
END
QUITMSG("--- splitrelax13 finished ---")

This script will automatically read the number of 2D files to split the data into by reading the TD value and splitting the 3D data using RSER2D along 13 dimension starting from folder 1000 (user editable).

Now if the interleaved experiment is looped through F1 dimension in Topspin aqpars, one will need to split the 3D along 23 dimension. This can be done in the following script. Remember to place the macro in $PATH_TOPSPIN/exp/stan/nmr/au/src/user (The following script is called “splitrelax23”)

int td, texpno=1000;

GETCURDATA
GETINT("Enter the first target expno: ",texpno)
FETCHPAR3S("TD",&td)
i1=0;
TIMES(td)
 RSER2D(23, i1+1,i1+texpno)
 i1 ++;
END
QUITMSG("--- splitrelax23 finished ---")

These scripts will create individual folders with 2D data in them which can be processed using standard 2D NMRPipe scripts or using “xfb” command in Topspin.